5-(Trifluoromethyl)-2,1,3-benzothiadiazole

Base Information

• Chemical Name: 5-(Trifluoromethyl)-2,1,3-benzothiadiazole
• CAS No.: 17754-05-1
• Molecular Formula: C7H3F3N2S
• Molecular Weight: 204.17
• Hs Code.: 2934999090
• European Community (EC) Number: 671-959-6
• DSSTox Substance ID: DTXSID80380519
• Wikidata: Q82170770
• Mol file: 17754-05-1.mol

Synonyms:17754-05-1;5-(Trifluoromethyl)benzo[c][1,2,5]thiadiazole;5-(Trifluoromethyl)benzo-[2,1,3]-thiadiazole;5-(trifluoromethyl)-2,1,3-benzothiadiazole;5-(trifluoromethyl)benzo-2,1,3-thiadiazole;2,1,3-Benzothiadiazole,5-(trifluoromethyl)-;Maybridge1_006039;SCHEMBL14666984;HMS558K11;DTXSID80380519;KUFWKXPZEWUROO-UHFFFAOYSA-N;MFCD00114584;AKOS015852780;CCG-249644;PS-6517;CS-0210977;FT-0619748;A812272;5-(Trifluoromethyl)-2,1,3-benzothiadiazole, AldrichCPR

Chemical Property of 5-(Trifluoromethyl)-2,1,3-benzothiadiazole

Chemical Property:

• Vapor Pressure: 0.198mmHg at 25°C
• Melting Point: 36 °C
• Refractive Index: 1.57
• Boiling Point: 217.2 °C at 760 mmHg
• PKA: -1.04±0.36(Predicted)
• Flash Point: 85.1 °C
• PSA: 54.02000
• Density: 1.535 g/cm³
• LogP: 2.71010
• Storage Temp.: Room temperature.
• Sensitive.: Stench
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 203.99690376
• Heavy Atom Count: 13
• Complexity: 197

Purity/Quality:

98%min ^*data from raw suppliers

5-(trifluoromethyl)benzo-[2,1,3]-thiadiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 36/37/38-25
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NSN=C2C=C1C(F)(F)F